SCHEMBL7252148

SCHEMBL7252148

CCOC(=O)c1cc2cc(OCc3cc(OS(=O)(=O)c4ccccc4)ccc3Cl)ccc2n1CCc1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.38
LGALS8 O00214 1/20 0.38
LGALS3 P17931 1/20 0.38
NOD2 Q9HC29 2/20 0.38
NOD1 Q9Y239 2/20 0.38
F10 P00742 1/20 0.37
MAOA P21397 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SRD5A2 P31213 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7244666 0.79 MAPT (0.39) LGALS8LGALS3NOD2NOD1F10
SCHEMBL7247626 0.78 CCR2 (0.46) MCL1F10SRD5A2LTB4RLTB4R2
SCHEMBL7244670 0.76 MAPT (0.36) MCL1LGALS8LGALS3NOD2NOD1
SCHEMBL7700461 0.76 PLA2G4A (0.47) NOD2NOD1MAOAKDM4ECRHBP
SCHEMBL7246843 0.75 KDM4E (0.41) NOD2NOD1F10MAOAKDM4E
SCHEMBL7247084 0.74 KDM4E (0.47) NOD2NOD1F10KDM4ECRHBP
SCHEMBL2969223 0.67 SRD5A2 (0.57) F10MAOAKDM4ECRHBPCRHR2
SCHEMBL18733284 0.67 LTB4R (0.63) F10SRD5A2LTB4RLTB4R2MEN1
SCHEMBL2016346 0.67 SRD5A2 (0.56) F10MAOAKDM4ECRHBPCRHR2
SCHEMBL31159349 0.66 NOD2 (0.61) MCL1NOD2NOD1F10MAOA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6670388-B1 Fatty acid synthase inhibitors SMITHKLINE BEECHAM CORPORATION 2003-12-30 US disclosed
WO-2002000620-A1 FATTY ACID SYNTHASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2002-01-03 WO disclosed